Geometry & MOs

Info

ID:	421453
PubChem CID:	135116036
Reduced:	ClN2O5C16H21 (1)
Stoich.:	AB2C5D16E21 (1)
Weight, g/mol:	357.205242
ΔH_f, kcal/mol:	-227.39
Dipole, Da:	5.13
IP(EA), eV:	-9.4(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethyl-4-oxo-1H-pyridin-2-yl)methyl]-5-[(4-methylpiperidin-1-yl)methyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(CC2(CCN(CC2)C(=O)C3=CNC(=O)C(=C3)Cl)OC[C@@H]1O)O

DOS

IR

Vibrations